2-[2-(2-undecyl-4,5-dihydroimidazol-1-yl)ethoxy]ethanol

C18H36N2O2 — CID 15158289

IUPAC2-[2-(2-undecyl-4,5-dihydroimidazol-1-yl)ethoxy]ethanol
SMILESCCCCCCCCCCCC1=NCCN1CCOCCO
InChIInChI=1S/C18H36N2O2/c1-2-3-4-5-6-7-8-9-10-11-18-19-12-13-20(18)14-16-22-17-15-21/h21H,2-17H2,1H3
InChIKeySPAPMEKVFUXSMD-UHFFFAOYSA-N
MW312.50 g/mol
LogP3.63
Rot. Bonds15

About 2-[2-(2-undecyl-4,5-dihydroimidazol-1-yl)ethoxy]ethanol

2-[2-(2-undecyl-4,5-dihydroimidazol-1-yl)ethoxy]ethanol (PubChem CID 15158289) has the molecular formula C18H36N2O2 and a molecular weight of 312.50 g/mol. Its IUPAC name is 2-[2-(2-undecyl-4,5-dihydroimidazol-1-yl)ethoxy]ethanol.

Molecular Properties

Compound Name2-[2-(2-undecyl-4,5-dihydroimidazol-1-yl)ethoxy]ethanol
PubChem CID15158289
Molecular FormulaC18H36N2O2
Molecular Weight312.50 g/mol
Exact Mass312.28
IUPAC Name2-[2-(2-undecyl-4,5-dihydroimidazol-1-yl)ethoxy]ethanol
SMILESCCCCCCCCCCCC1=NCCN1CCOCCO
InChIInChI=1S/C18H36N2O2/c1-2-3-4-5-6-7-8-9-10-11-18-19-12-13-20(18)14-16-22-17-15-21/h21H,2-17H2,1H3
InChIKeySPAPMEKVFUXSMD-UHFFFAOYSA-N
XLogP3.63
TPSA45.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.50
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-undecyl-4,5-dihydroimidazol-1-yl)ethoxy]ethanol?
The IUPAC name of 2-[2-(2-undecyl-4,5-dihydroimidazol-1-yl)ethoxy]ethanol (CID 15158289) is 2-[2-(2-undecyl-4,5-dihydroimidazol-1-yl)ethoxy]ethanol.
What is the SMILES notation for 2-[2-(2-undecyl-4,5-dihydroimidazol-1-yl)ethoxy]ethanol?
The canonical SMILES for 2-[2-(2-undecyl-4,5-dihydroimidazol-1-yl)ethoxy]ethanol is CCCCCCCCCCCC1=NCCN1CCOCCO.
What is the InChIKey of 2-[2-(2-undecyl-4,5-dihydroimidazol-1-yl)ethoxy]ethanol?
The InChIKey is SPAPMEKVFUXSMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N2O2/c1-2-3-4-5-6-7-8-9-10-11-18-19-12-13-20(18)14-16-22-17-15-21/h21H,2-17H2,1H3.
What are the key properties of 2-[2-(2-undecyl-4,5-dihydroimidazol-1-yl)ethoxy]ethanol?
2-[2-(2-undecyl-4,5-dihydroimidazol-1-yl)ethoxy]ethanol has a molecular weight of 312.50 g/mol, XLogP of 3.63, 15 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-undecyl-4,5-dihydroimidazol-1-yl)ethoxy]ethanol is sourced from PubChem (CID 15158289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).